Compounds

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ALA2086543
Name:
4-(2-Acryloylaminopyrimidine-5-sulfonyl)piperazine-1-carboxylic Acid BenzylShow More⌵
Mol. Formula:
C19H21N5O5S
M.W.:
431.47
4 activity values
4 unique targets
Type:
Small molecule
AlogP:
1.24
Polar Surface Area:
121.80
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA2086520
Name:
N-{4-[4-(3-Phenylpropionyl)piperazine-1-sulfonyl]phenyl}-acrylamide
Mol. Formula:
C22H25N3O4S
M.W.:
427.53
4 activity values
4 unique targets
Type:
Small molecule
AlogP:
2.28
Polar Surface Area:
86.79
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA2086513
Name:
4-(4-Acryloylaminobenzenesulfonyl)piperazine-1-carboxylic Acid Naphthalen-1Show More⌵
Mol. Formula:
C25H25N3O5S
M.W.:
479.56
4 activity values
4 unique targets
Type:
Small molecule
AlogP:
3.61
Polar Surface Area:
96.02
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA2086507
Name:
4-(4-Acryloylaminobenzenesulfonyl)piperazine-1-carboxylic Acid 4-FluorobenzShow More⌵
Mol. Formula:
C21H22FN3O5S
M.W.:
447.49
4 activity values
4 unique targets
Type:
Small molecule
AlogP:
2.59
Polar Surface Area:
96.02
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA2086480
Name:
N-[4-(4-cyclopentanecarbonylpiperazine-1-sulfonyl)phenyl]acrylamide
Mol. Formula:
C19H25N3O4S
M.W.:
391.49
13 activity values
9 unique targets
Type:
Small molecule
AlogP:
1.83
Polar Surface Area:
86.79
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE